CID 10511797

(s)-1-boc-2-azetidinemethanol

Structural Information

Molecular Formula
C9H17NO3
SMILES
CC(C)(C)OC(=O)N1CC[C@H]1CO
InChI
InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(10)6-11/h7,11H,4-6H2,1-3H3/t7-/m0/s1
InChIKey
XIRUXUKRGUFEKC-ZETCQYMHSA-N
Compound name
tert-butyl (2S)-2-(hydroxymethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

519
Patents

187.12085 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 144.7
[M+Na]+ 210.11007 148.9
[M+NH4]+ 205.15467 146.7
[M+K]+ 226.08401 147.7
[M-H]- 186.11357 140.1
[M+Na-2H]- 208.09552 144.4
[M]+ 187.12030 142.5
[M]- 187.12140 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe